2-(3-methoxyphenyl)-1-phenylethan-1-ol

• ChemBase ID: 240199
• Molecular Formular: C15H16O2
• Molecular Mass: 228.28634
• Monoisotopic Mass: 228.11502975
• SMILES: C(Cc1cc(OC)ccc1)(c1ccccc1)O
• Canonical SMILES: COc1cccc(c1)CC(c1ccccc1)O
• InChI: InChI=1S/C15H16O2/c1-17-14-9-5-6-12(10-14)11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3
• InChIKey: FPRARTRWKLFGES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)-1-phenylethan-1-ol
• IUPAC Traditional name: 2-(3-methoxyphenyl)-1-phenylethanol
• Synonyms: 2-(3-methoxyphenyl)-1-phenylethan-1-ol

Database IDs

• MDL Number: MFCD16314668
• PubChem SID: 164296109
• PubChem CID: 12499847

CALCULATED PROPERTIES

• Acid pKa: 14.358145
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1211262
• LogD (pH = 7.4): 3.1211262
• Log P: 3.1211262
• Molar Refractivity: 68.3749 cm^3
• Polarizability: 26.677116 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.9

Product Information

• Purity: 95%